* LIGAND DATABASE FILE (OPLS2005)
*
001      80    80    144    210     418
    1     0 S   NP   _N1_     1    29.33355    99.89380   -22.24740
    2     1 S   H    _HN1     2     1.02951    55.01205    19.70594
    3     1 S   H    _H1_     3     1.02830    60.15774   164.33178
    4     1 S   H    _H2_     4     1.02788    96.05229   -88.49907
    5     1 S   CT   _CA1     5     1.50144   151.61997    85.99987
    6     5 S   HC   _HA1     6     1.09580   105.15803   124.49705
    7     5 S   CO3  _C1_     7     1.53769   112.40026     4.41348
    8     7 S   O2Z  _O11     8     1.26363   114.99876   -43.63352
    9     7 S   O2Z  _O12     9     1.26238   114.93166   135.26680
   10     5 S   CT   _CB1    10     1.53064   107.37643  -117.67880
   11    10 S   HC   HB11    11     1.09830   109.24256   -50.59672
   12    10 S   HC   HB12    12     1.09811   110.51280    65.98876
   13    10 S   CT   _CG1    13     1.52956   112.61325  -171.63679
   14    13 S   HC   HG11    14     1.09564   110.48863   -67.11059
   15    13 S   HC   HG12    15     1.09670   109.86458    52.09962
   16    13 S   C    _CD1    16     1.51806   112.30378   172.46370
   17    16 S   O    _OE1    17     1.22733   123.31372     4.66640
   18    16 S   N    _N2_    18     1.38580   111.59167  -175.07487
   19    18 S   H    _HN2    19     1.01592   119.00047     0.58450
   20    18 S   CT1  _CA2    20     1.46293   123.63270   178.65332
   21    20 S   HC   _HA2    21     1.09733   109.33953     5.12032
   22    20 S   C    _C2_    22     1.53558   108.99997  -110.57067
   23    22 S   O    _O2_    23     1.23083   122.24501  -150.06030
   24    20 S   CT   _CB2    32     1.53363   111.07284   127.09880
   25    24 S   HC   HB21    33     1.09440   109.18581    57.29505
   26    24 S   HC   HB22    34     1.09506   110.60661   175.68807
   27    22 S   N    _N3_    24     1.38327   113.85066    37.53379
   28    27 S   H    _HN3    25     1.01566   119.55118    -3.53629
   29    24 S   S    _SG2    35     1.83244   110.66013   -65.41805
   30    27 S   CT   _CA3    26     1.45272   123.20274   177.06455
   31    30 S   HC   HA31    27     1.09550   107.53064   -64.19681
   32    30 S   HC   HA32    28     1.09558   107.95723    52.22806
   33    29 S   CT   _C13    36     1.87957   102.52470   148.23028
   34    33 S   OM   _O35    37     1.31993   111.41719   -57.69004
   35    30 S   CO3  _C3_    29     1.52950   114.11412   174.23517
   36    35 S   O2Z  _O31    30     1.26372   116.09580     0.14402
   37    35 S   O2Z  _O32    31     1.26435   114.39847  -179.81233
   38    33 S   CM   _C8_    38     1.58179   106.76826  -178.70140
   39    38 S   CT   _C9_    39     1.58310   112.49766  -108.50020
   40    38 S   CMA  _C7_    70     1.38320   125.03618    70.67038
   41    40 S   OM   _O40    71     1.26643   130.60105  -177.95072
   42    39 S   CT   _C10    40     1.54749   109.86730    42.54662
   43    42 S   HC   _H8_    41     1.09483   111.30401  -175.44981
   44    42 S   HC   _H9_    42     1.09600   110.64958    63.85480
   45    39 S   CT   _C14    48     1.55597   117.13067   165.97575
   46    45 S   HC   _H12    49     1.09603   110.84840    64.49478
   47    45 S   HC   _H13    50     1.09614   109.34424   -56.71925
   48    39 S   OH   _O39    68     1.43927   106.37183   -75.58024
   49    48 S   HO   _H21    69     0.97311   108.04592   176.56020
   50    40 S   CT   _C6_    72     1.54006   122.47696     0.73195
   51    50 S   HC   _H6_    73     1.09056   112.71445   -28.16676
   52    50 S   HC   _H7_    74     1.10160   111.28828  -144.35929
   53    42 S   CO4  _C11    43     1.50752   112.93080   -57.59748
   54    53 S   O    _O34    44     1.23155   121.21424  -163.67450
   55    45 S   CO4  _C15    51     1.52798   115.95570  -178.29349
   56    55 S   O    _O36    52     1.23109   121.73954   -33.73685
   57    50 S   CO4  _C5_    75     1.53383   114.05699    94.65493
   58    57 S   O    _O33    76     1.23065   124.11323    11.64721
   59    33 S   CT   _C12    45     1.54681   108.54414    58.28221
   60    59 S   HC   _H10    46     1.09849   112.63891   -55.95633
   61    59 S   HC   _H11    47     1.09930   112.29345  -174.54659
   62    55 S   CT   _C16    53     1.51501   116.08194   151.97564
   63    62 S   HC   _H14    54     1.09478   109.33174   -40.61063
   64    62 S   HC   _H15    55     1.09479   106.82293    77.11757
   65    57 S   CT   _C4_    77     1.50874   115.46547  -169.91695
   66    65 S   HC   _H3_    78     1.09264   109.62200    62.09411
   67    65 S   HC   _H4_    79     1.09349   109.76635  -178.46316
   68    65 S   HC   _H5_    80     1.09266   109.51563   -58.99866
   69    62 S   CO4  _C17    56     1.51494   115.60774  -161.02202
   70    69 S   O    _O37    57     1.23042   121.87583    28.94637
   71    69 S   CT   _C18    58     1.51565   116.07441  -156.37232
   72    71 S   HC   _H16    59     1.09558   108.84805    41.88638
   73    71 S   HC   _H17    60     1.09544   106.58136   -75.30245
   74    71 S   CO4  _C19    61     1.51064   114.91983   161.66617
   75    74 S   O    _O38    62     1.22477   123.83729   -32.70214
   76    74 S   S    _S1_    63     1.76655   113.72757   150.22796
   77    76 S   CT   _C20    64     1.80610   100.31033  -178.48457
   78    77 S   HC   _H18    65     1.09324   109.27340   179.30170
   79    77 S   HC   _H19    66     1.09339   110.51820    59.96053
   80    77 S   HC   _H20    67     1.09337   110.53563   -61.37132
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  20  17  11   4  13   6   5  11   5   4   3
   1   8   4   3   4   3   7   4   5   4   2   1   1   8   4   3
   3   2   1   1   7   4   6   4   3   6   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    53    59    60    61    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    53    54    59    60    61    45    48    40    41    50  
   38    39    53    59    60    61    40  
   36    37  
   37  
    0  
   39    42    43    44    53    59    60    61    45    46    47    55    48    49    40    41    50    51    52    57  
   42    43    44    53    54    59    45    46    47    55    56    62    48    49    40    41    50  
   41    50    51    52    57    58    65    42    45    48    59  
   50    51    52    57  
   43    44    53    54    59    60    61    45    46    47    55    48    49  
   44    53    54    59    45    48  
   53    54    59    45    48  
   46    47    55    56    62    63    64    69    48    49    53  
   47    55    56    62    48  
   55    56    62    48  
   49    53    55  
    0  
   51    52    57    58    65    66    67    68  
   52    57    58    65  
   57    58    65  
   54    59    60    61  
   59    60    61  
   56    62    63    64    69    70    71  
   62    63    64    69  
   58    65    66    67    68  
   65    66    67    68  
   60    61  
   61  
    0  
   63    64    69    70    71    72    73    74  
   64    69    70    71  
   69    70    71  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74    75    76  
   71    72    73    74  
   72    73    74    75    76    77  
   73    74    75    76  
   74    75    76  
   75    76    77    78    79    80  
   76    77  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   77   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    59   268.000  1.529
   38    39   317.000  1.510
   38    40   465.000  1.376
   39    42   268.000  1.529
   39    45   268.000  1.529
   39    48   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    53   317.000  1.522
   53    54   570.000  1.229
   53    59   317.000  1.522
   59    60   340.000  1.090
   59    61   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    55   317.000  1.522
   55    56   570.000  1.229
   55    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    69   317.000  1.522
   69    70   570.000  1.229
   69    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   317.000  1.522
   74    75   570.000  1.229
   74    76   210.000  1.799
   76    77   222.000  1.810
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   48    49   553.000  0.945
   40    41   745.000  1.250
   40    50   270.000  1.512
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   317.000  1.522
   57    58   570.000  1.229
   57    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    59    75.00000  111.63000
   33    38    39    65.00000  117.92700
   33    38    40    70.00000  124.00000
   33    59    53    63.00000  111.10000
   33    59    60    37.50000  110.70000
   33    59    61    37.50000  110.70000
   38    33    34    85.00000  110.90400
   38    39    42    70.00000  112.02700
   38    39    45    70.00000  112.02700
   38    39    48    90.00000  110.39200
   38    40    41    65.00000  137.10300
   38    40    50    65.00000  122.18000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    53    63.00000  111.10000
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    55    63.00000  111.10000
   39    48    49    55.00000  108.50000
   42    53    54    80.00000  120.40000
   42    53    59    70.00000  116.00000
   44    42    43    33.00000  107.80000
   53    42    43    35.00000  109.50000
   53    42    44    35.00000  109.50000
   53    59    60    35.00000  109.50000
   53    59    61    35.00000  109.50000
   59    33    34    50.00000  109.50000
   59    33    38    70.00000  112.02700
   59    53    54    80.00000  120.40000
   61    59    60    33.00000  107.80000
   45    39    42    58.35000  112.70000
   45    55    56    80.00000  120.40000
   45    55    62    70.00000  116.00000
   47    45    46    33.00000  107.80000
   55    45    46    35.00000  109.50000
   55    45    47    35.00000  109.50000
   55    62    63    35.00000  109.50000
   55    62    64    35.00000  109.50000
   55    62    69    75.00000  107.99600
   62    55    56    80.00000  120.40000
   62    69    70    80.00000  120.40000
   62    69    71    70.00000  116.00000
   64    62    63    33.00000  107.80000
   69    62    63    35.00000  109.50000
   69    62    64    35.00000  109.50000
   69    71    72    35.00000  109.50000
   69    71    73    35.00000  109.50000
   69    71    74    75.00000  107.99600
   71    69    70    80.00000  120.40000
   71    74    75    80.00000  120.40000
   71    74    76    70.00000  114.16300
   73    71    72    33.00000  107.80000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
   74    76    77    90.00000   96.72000
   76    74    75    80.00000  121.30200
   76    77    78    35.00000  109.50000
   76    77    79    35.00000  109.50000
   76    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   48    39    42    50.00000  109.50000
   48    39    45    50.00000  109.50000
   40    38    39    70.00000  124.00000
   40    50    51    45.00000  110.52000
   40    50    52    45.00000  110.52000
   40    50    57    70.00000  109.06800
   50    40    41    85.00000  112.85300
   50    57    58    80.00000  120.40000
   50    57    65    70.00000  116.00000
   52    50    51    33.00000  107.80000
   57    50    51    35.00000  109.50000
   57    50    52    35.00000  109.50000
   57    65    66    35.00000  109.50000
   57    65    67    35.00000  109.50000
   57    65    68    35.00000  109.50000
   65    57    58    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    59    53   0.56750  1.0 1.0
   29    33    59    53  -0.07550 -1.0 2.0
   29    33    59    53   0.20000  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    61   0.15000  1.0 3.0
   33    38    39    42   0.46850  1.0 1.0
   33    38    39    42   0.08550 -1.0 2.0
   33    38    39    42   0.09800  1.0 3.0
   33    38    39    45   0.46850  1.0 1.0
   33    38    39    45   0.08550 -1.0 2.0
   33    38    39    45   0.09800  1.0 3.0
   33    38    39    48   0.18000  1.0 1.0
   33    38    39    48   0.16450 -1.0 2.0
   33    38    39    48   0.04450  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    50   7.00000 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    59    53  -0.09450  1.0 1.0
   34    33    59    53  -1.12950 -1.0 2.0
   34    33    59    53   0.54000  1.0 3.0
   34    33    59    60   0.23400  1.0 3.0
   34    33    59    61   0.23400  1.0 3.0
   38    33    59    53  -0.98800  1.0 1.0
   38    33    59    53   0.48800 -1.0 2.0
   38    33    59    53   0.76800  1.0 3.0
   38    33    59    60   0.15000  1.0 3.0
   38    33    59    61   0.15000  1.0 3.0
   38    39    42    43   0.15000  1.0 3.0
   38    39    42    44   0.15000  1.0 3.0
   38    39   -42    53  -0.98800  1.0 1.0
   38    39   -42    53   0.48800 -1.0 2.0
   38    39   -42    53   0.76800  1.0 3.0
   38    39    45    46   0.15000  1.0 3.0
   38    39    45    47   0.15000  1.0 3.0
   38    39    45    55  -0.98800  1.0 1.0
   38    39    45    55   0.48800 -1.0 2.0
   38    39    45    55   0.76800  1.0 3.0
   38    39    48    49  -0.07800  1.0 1.0
   38    39    48    49  -0.21500 -1.0 2.0
   38    39    48    49  -0.03150  1.0 3.0
   38    40    50    51   0.00000  1.0 1.0
   38    40    50    52   0.00000  1.0 1.0
   38    40    50    57  -0.51250  1.0 1.0
   38    40    50    57  -0.88800 -1.0 2.0
   38    40    50    57   0.08850  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    50   7.00000 -1.0 2.0
   39    42    53    54   0.30150 -1.0 2.0
   39    42    53    59   0.60050  1.0 1.0
   39    42    53    59   0.05600 -1.0 2.0
   39    42    53    59   0.26150  1.0 3.0
   39    45    55    56   0.30150 -1.0 2.0
   39    45    55    62   0.60050  1.0 1.0
   39    45    55    62   0.05600 -1.0 2.0
   39    45    55    62   0.26150  1.0 3.0
   42    39    45    46   0.15000  1.0 3.0
   42    39    45    47   0.15000  1.0 3.0
   42    39    45    55  -0.95700  1.0 1.0
   42    39    45    55  -0.18200 -1.0 2.0
   42    39    45    55   0.29450  1.0 3.0
   42    39    48    49  -0.11600  1.0 1.0
   42    39    48    49  -0.09450 -1.0 2.0
   42    39    48    49   0.21250  1.0 3.0
   42    53   -59    33   0.60050  1.0 1.0
   42    53   -59    33   0.05600 -1.0 2.0
   42    53   -59    33   0.26150  1.0 3.0
   42    53    59    60   0.00000  1.0 1.0
   42    53    59    61   0.00000  1.0 1.0
   43    42    53    54   0.00000  1.0 1.0
   43    42    53    59   0.00000  1.0 1.0
   44    42    53    54   0.00000  1.0 1.0
   44    42    53    59   0.00000  1.0 1.0
   54    53    59    33   0.30150 -1.0 2.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    61   0.00000  1.0 1.0
   59    33   -38    39   0.46850  1.0 1.0
   59    33   -38    39   0.08550 -1.0 2.0
   59    33   -38    39   0.09800  1.0 3.0
   59    33    38    40   0.09850  1.0 1.0
   59    33    38    40   0.15250 -1.0 2.0
   59    33    38    40  -0.50650  1.0 3.0
   45    39    42    43   0.15000  1.0 3.0
   45    39    42    44   0.15000  1.0 3.0
   45    39    42    53  -0.95700  1.0 1.0
   45    39    42    53  -0.18200 -1.0 2.0
   45    39    42    53   0.29450  1.0 3.0
   45    39    48    49  -0.11600  1.0 1.0
   45    39    48    49  -0.09450 -1.0 2.0
   45    39    48    49   0.21250  1.0 3.0
   45    55    62    63   0.00000  1.0 1.0
   45    55    62    64   0.00000  1.0 1.0
   45    55    62    69   0.65300  1.0 1.0
   45    55    62    69  -0.03850 -1.0 2.0
   45    55    62    69   0.33900  1.0 3.0
   46    45    55    56   0.00000  1.0 1.0
   46    45    55    62   0.00000  1.0 1.0
   47    45    55    56   0.00000  1.0 1.0
   47    45    55    62   0.00000  1.0 1.0
   55    62    69    70   0.30150 -1.0 2.0
   55    62    69    71   0.65300  1.0 1.0
   55    62    69    71  -0.03850 -1.0 2.0
   55    62    69    71   0.33900  1.0 3.0
   56    55    62    63   0.00000  1.0 1.0
   56    55    62    64   0.00000  1.0 1.0
   56    55    62    69   0.30150 -1.0 2.0
   62    69    71    72   0.00000  1.0 1.0
   62    69    71    73   0.00000  1.0 1.0
   62    69    71    74   0.65300  1.0 1.0
   62    69    71    74  -0.03850 -1.0 2.0
   62    69    71    74   0.33900  1.0 3.0
   63    62    69    70   0.00000  1.0 1.0
   63    62    69    71   0.00000  1.0 1.0
   64    62    69    70   0.00000  1.0 1.0
   64    62    69    71   0.00000  1.0 1.0
   69    71    74    75   0.30150 -1.0 2.0
   69    71    74    76   0.00000  1.0 1.0
   70    69    71    72   0.00000  1.0 1.0
   70    69    71    73   0.00000  1.0 1.0
   70    69    71    74   0.30150 -1.0 2.0
   71    74    76    77  -0.11550  1.0 1.0
   71    74    76    77   1.88700 -1.0 2.0
   72    71    74    75   0.00000  1.0 1.0
   72    71    74    76   0.00000  1.0 1.0
   73    71    74    75   0.00000  1.0 1.0
   73    71    74    76   0.00000  1.0 1.0
   74    76    77    78   0.24000  1.0 3.0
   74    76    77    79   0.24000  1.0 3.0
   74    76    77    80   0.24000  1.0 3.0
   75    74    76    77  -0.11550  1.0 1.0
   75    74    76    77   1.88700 -1.0 2.0
   48    39    42    43   0.23400  1.0 3.0
   48    39    42    44   0.23400  1.0 3.0
   48    39    42    53  -0.09450  1.0 1.0
   48    39    42    53  -1.12950 -1.0 2.0
   48    39    42    53   0.54000  1.0 3.0
   48    39    45    46   0.23400  1.0 3.0
   48    39    45    47   0.23400  1.0 3.0
   48    39    45    55  -0.09450  1.0 1.0
   48    39    45    55  -1.12950 -1.0 2.0
   48    39    45    55   0.54000  1.0 3.0
   40    38    39    42   0.09850  1.0 1.0
   40    38    39    42   0.15250 -1.0 2.0
   40    38    39    42  -0.50650  1.0 3.0
   40    38    39    45   0.09850  1.0 1.0
   40    38    39    45   0.15250 -1.0 2.0
   40    38    39    45  -0.50650  1.0 3.0
   40    38    39    48   0.67800  1.0 1.0
   40    38    39    48   0.47050 -1.0 2.0
   40    38    39    48  -0.62500  1.0 3.0
   40    50    57    58   0.30150 -1.0 2.0
   40    50    57    65   0.65300  1.0 1.0
   40    50    57    65  -0.03850 -1.0 2.0
   40    50    57    65   0.33900  1.0 3.0
   41    40    50    51   0.00000  1.0 1.0
   41    40    50    52   0.00000  1.0 1.0
   41    40    50    57   0.09700  1.0 1.0
   41    40    50    57   0.15600 -1.0 2.0
   41    40    50    57  -0.50800  1.0 3.0
   50    57    65    66   0.00000  1.0 1.0
   50    57    65    67   0.00000  1.0 1.0
   50    57    65    68   0.00000  1.0 1.0
   51    50    57    58   0.00000  1.0 1.0
   51    50    57    65   0.00000  1.0 1.0
   52    50    57    58   0.00000  1.0 1.0
   52    50    57    65   0.00000  1.0 1.0
   58    57    65    66   0.00000  1.0 1.0
   58    57    65    67   0.00000  1.0 1.0
   58    57    65    68   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    59    53    54  10.50000 -1.0 2.0
   45    62    55    56  10.50000 -1.0 2.0
   62    71    69    70  10.50000 -1.0 2.0
   71    76    74    75  10.50000 -1.0 2.0
   50    41    40    38   1.10000 -1.0 2.0
   50    65    57    58  10.50000 -1.0 2.0
END
